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Substance Name: Equilenin
RN: 517-09-9
UNII: W8FTJ17C4J
InChIKey: PDRGHUMCVRDZLQ-WMZOPIPTSA-N

Note

  • An estrogenic steroid produced by HORSES. It has a total of five double bonds in the A- and B-ring. High concentration of equilenin is found in the URINE of pregnant mares.

Molecular Formula

  • C18-H18-O2

Molecular Weight

  • 266.3382
 

Classification Code

  • Tumor Data
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Names and Synonyms

Name of Substance

  • Equilenin

MeSH Heading

  • Equilenin

Synonyms

  • 3-Hydroxyestra-1,3,5(10),6,8-pentaen-17-one
  • 4-08-00-01420 (Beilstein Handbook Reference)
  • BRN 2335367
  • CCRIS 9075
  • d-Equilenin
  • EINECS 208-230-5
  • Equilenin
  • Equilenina
  • Equilenina [Spanish]
  • Equilenine
  • Estra-1,3,5(10),6,8-pentaen-17-one, 3-hydroxy-
  • Isoequilenin
  • NSC 9901
  • UNII-W8FTJ17C4J

Systematic Names

  • 3-Hydroxyoestra-1,3,5(10),6,8-pentaen-17-one
  • Estra-1,3,5,7,9-pentaen-17-one, 3-hydroxy-

Superlist Name

  • d-Equilenin

Registry Numbers

CAS Registry Number

  • 517-09-9

FDA UNII

  • W8FTJ17C4J

System Generated Number

  • 0000517099

Structure Descriptors

InChI

1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1

InChIKey

PDRGHUMCVRDZLQ-WMZOPIPTSA-N

Smiles

C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CCC2=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 258.5 deg C   EXP
log P (octanol-water) 3.930 (none)   EST
Water Solubility 1.52 mg/L 25 EXP
Atmospheric OH Rate Constant 2.16E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.